(3R)-3-[(4-bromophenyl)methyl]-4-[(2-iodanylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3R)-3-[(4-bromophenyl)methyl]-4-[(2-iodanylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3R)-3-[(4-bromophenyl)methyl]-4-(2-iodoanilino)-4-oxo-butanoate CAS Name: (3R)-3-[(4-bromophenyl)methyl]-4-(2-iodoanilino)-4-oxobutanoate IUPAC Name: (3R)-3-[(4-bromophenyl)methyl]-4-(2-iodoanilino)-4-oxobutanoate Traditional Name: (3R)-3-(4-bromobenzyl)-4-(2-iodoanilino)-4-keto-butyrate Formula: C17H14BrINO3- MolecularWeight: 487.10643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C(CC2=CC=C(C=C2)Br)CC(=O)[O-])I

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)[C@H](CC2=CC=C(C=C2)Br)CC(=O)[O-])I

InChI

InChI=1S/C17H15BrINO3/c18-13-7-5-11(6-8-13)9-12(10-16(21)22)17(23)20-15-4-2-1-3-14(15)19/h1-8,12H,9-10H2,(H,20,23)(H,21,22)/p-1/t12-/m1/s1